CID 1224036

307952-84-7

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI
InChI=1S/C21H24N2O5/c1-21(2,3)15-7-9-16(10-8-15)22-20(24)11-6-14-12-18(27-4)19(28-5)13-17(14)23(25)26/h6-13H,1-5H3,(H,22,24)/b11-6+
InChIKey
IFRDCDVNICRSBM-IZZDOVSWSA-N
Compound name
(E)-N-(4-tert-butylphenyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16852 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.175796 192.2
[M+Na]+ 407.157738 197.1
[M-H]- 383.161244 198.9
[M+NH4]+ 402.202343 202.8
[M+K]+ 423.131678 190.0
[M+H-H2O]+ 367.165780 188.2
[M+HCOO]- 429.166721 214.4
[M+CH3COO]- 443.182371 217.3
[M+Na-2H]- 405.143186 195.9
[M]+ 384.16797142 194.6
[M]- 384.16906858 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.